Information card for entry 7015783

Structure parameters

• Formula: C27 H69 N2 O6 P Si3 W2
• Calculated formula: C27 H69 N2 O6 P Si3 W2
• SMILES: [W]1([W](N([Si](C)(C)C)[P]1(N([Si](C)(C)C)[Si](C)(C)C)OC(C)C)(OC(C)C)OC(C)C)(OC(C)C)(OC(C)C)OC(C)C
• Title of publication: Reactions of ((i)PrO)3M≡M(O(i)Pr)3 (M = Mo, W) with low-coordinate phosphorus compounds. Formation of the first four-membered planar metallacycles, containing an M≡M triple bond.
• Authors of publication: Kovalenko, Oleksandr O.; Brusylovets, Oleksii A.; Kinzhybalo, Vasyl; Lis, Tadeusz; Brusilovets, Anatolii I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 18
• Pages of publication: 4814 - 4817
• a: 11.679 ± 0.003 Å
• b: 16.861 ± 0.004 Å
• c: 21.651 ± 0.006 Å
• α: 90°
• β: 99.88 ± 0.03°
• γ: 90°
• Cell volume: 4200.3 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No